2-amino-N-[(3-methoxyphenyl)methyl]-N-methylbutanamide

C13H20N2O2 — CID 54869166

IUPAC2-amino-N-[(3-methoxyphenyl)methyl]-N-methylbutanamide
SMILESCCC(N)C(=O)N(C)Cc1cccc(OC)c1
InChIInChI=1S/C13H20N2O2/c1-4-12(14)13(16)15(2)9-10-6-5-7-11(8-10)17-3/h5-8,12H,4,9,14H2,1-3H3
InChIKeyCMUFKEJHYJZAFO-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.39
Rot. Bonds5

About 2-amino-N-[(3-methoxyphenyl)methyl]-N-methylbutanamide

2-amino-N-[(3-methoxyphenyl)methyl]-N-methylbutanamide (PubChem CID 54869166) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-amino-N-[(3-methoxyphenyl)methyl]-N-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(3-methoxyphenyl)methyl]-N-methylbutanamide
PubChem CID54869166
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-amino-N-[(3-methoxyphenyl)methyl]-N-methylbutanamide
SMILESCCC(N)C(=O)N(C)Cc1cccc(OC)c1
InChIInChI=1S/C13H20N2O2/c1-4-12(14)13(16)15(2)9-10-6-5-7-11(8-10)17-3/h5-8,12H,4,9,14H2,1-3H3
InChIKeyCMUFKEJHYJZAFO-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide
CID 93367197
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929069
ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
CID 60636271
(2S)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbutanamide
CID 79024662
(2S)-2-amino-N'-[(3-methoxyphenyl)methyl]-N'-methylpentanediamide
CID 58987433
2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbutanamide
CID 54939409
2-[(3-methoxyphenyl)methyl-methylamino]butanamide
CID 62899149
2-amino-N,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide
CID 119822100
ethyl 4-[(3-methoxyphenyl)methyl-methylamino]-4-oxobutanoate
CID 60636296
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
(2S)-2-amino-N-ethyl-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
CID 66568463
(2R)-2-[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 79009414

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-methoxyphenyl)methyl]-N-methylbutanamide?
The IUPAC name of 2-amino-N-[(3-methoxyphenyl)methyl]-N-methylbutanamide (CID 54869166) is 2-amino-N-[(3-methoxyphenyl)methyl]-N-methylbutanamide.
What is the SMILES notation for 2-amino-N-[(3-methoxyphenyl)methyl]-N-methylbutanamide?
The canonical SMILES for 2-amino-N-[(3-methoxyphenyl)methyl]-N-methylbutanamide is CCC(N)C(=O)N(C)Cc1cccc(OC)c1.
What is the InChIKey of 2-amino-N-[(3-methoxyphenyl)methyl]-N-methylbutanamide?
The InChIKey is CMUFKEJHYJZAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-12(14)13(16)15(2)9-10-6-5-7-11(8-10)17-3/h5-8,12H,4,9,14H2,1-3H3.
What are the key properties of 2-amino-N-[(3-methoxyphenyl)methyl]-N-methylbutanamide?
2-amino-N-[(3-methoxyphenyl)methyl]-N-methylbutanamide has a molecular weight of 236.31 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-methoxyphenyl)methyl]-N-methylbutanamide is sourced from PubChem (CID 54869166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).